SCHEMBL10003748

SCHEMBL10003748

CCOC(=O)c1c(OC(C)C)c2c(=O)n(CC(=O)c3ccccc3)c(C(C)C)nc2n1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 4/20 0.40
▸ CRHBP P24387 2/20 0.40
▸ CRHR2 Q13324 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MCOLN3 Q8TDD5 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ BLM P54132 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ CCKBR P32239 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10004234 0.80 KMT2A (0.50) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL10003785 0.79 ALDH1A1 (0.39) KMT2AMEN1MAPTCRHBPCRHR2
SCHEMBL1062411 0.79 SMO (0.49) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL10004570 0.78 HKDC1 (0.48) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL10004852 0.78 SMO (0.56) NPSR1ALDH1A1
SCHEMBL10004642 0.76 SMO (0.44) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL10004335 0.74 SMO (0.43) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL10004047 0.73 POLB (0.45) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL10004021 0.71 MAPT (0.37) KMT2AMAPTNPSR1HSD17B10ADORA3
SCHEMBL10004424 0.71 HPGD (0.39) KMT2AMEN1MAPTNPSR1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH KMT2A 423/4885MEN1 335/4885MAPT 4783/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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